UCSF

ZINC36750135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 3.19 -47.3 3 4 1 55 254.26 3
Hi High (pH 8-9.5) 1.85 2.78 -5.38 2 4 0 53 253.252 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )